4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine

C14H23NO — CID 116924946

IUPAC4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
SMILESCCOc1ccc(CCC(C)CN)cc1C
InChIInChI=1S/C14H23NO/c1-4-16-14-8-7-13(9-12(14)3)6-5-11(2)10-15/h7-9,11H,4-6,10,15H2,1-3H3
InChIKeyAFGDKNPEXZJLPW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.92
Rot. Bonds6

About 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine

4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine (PubChem CID 116924946) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
PubChem CID116924946
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
SMILESCCOc1ccc(CCC(C)CN)cc1C
InChIInChI=1S/C14H23NO/c1-4-16-14-8-7-13(9-12(14)3)6-5-11(2)10-15/h7-9,11H,4-6,10,15H2,1-3H3
InChIKeyAFGDKNPEXZJLPW-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908
2-amino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 112518237
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154
3-N-[(4-ethoxy-3-methylphenyl)methyl]propane-1,2,3-triamine
CID 115119699
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908
1-amino-3-[(4-ethoxy-3-methylphenyl)methylamino]propan-2-ol
CID 115121371
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
2-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]propanenitrile
CID 115130526

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine (CID 116924946) is 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine is CCOc1ccc(CCC(C)CN)cc1C.
What is the InChIKey of 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine?
The InChIKey is AFGDKNPEXZJLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-16-14-8-7-13(9-12(14)3)6-5-11(2)10-15/h7-9,11H,4-6,10,15H2,1-3H3.
What are the key properties of 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine?
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 116924946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).